0 B10R0.4 B(C=CCCCCCC)(O)O PI-18545 [0,0,0,0,0,0|1,0,3]=4 1 B10R0.4 B(CCCCCCCC)(O)O PI-25412 [0,0,0,0,0,0|1,0,1]=2 2 B10R0.4 BrCCCCCCCC(=O)O PI-14490 [0,0,0,0,0,0|1,0,0]=1 3 B10R0.4 C(CCCC(=O)O)CCCO PI-20834 [0,0,0,0,0,0|1,0,0]=1 4 B10R0.4 C(COCCOCC(=O)O)N PI-49367 [0,0,0,0,0,0|3,0,0]=3 5 B10R0.4 CCCCCCCCC(=O)[O-] PI-46868 [0,0,0,0,0,0|0,0,1]=1 6 B10R0.4 CCCCCCCCC(=O)[O-] PI-47228 [0,0,0,0,0,0|0,0,1]=1 7 B10R0.4 NCCCCCCCC(=O)O PI-24013 [0,0,0,0,0,0|1,0,0]=1 8 B9R0.2 BrCCCCCCC(=O)O PI-36573 [1,0,0,0,0,0|1,0,0]=2 9 B9R0.2 CC(=O)OCCCCCCl PI-44263 [1,0,0,0,0,0|3,0,0]=4 10 B9R0.2 CCCCCCNC(=S)N PI-20722 [1,0,0,0,0,0|2,1,0]=4 11 B9R0.2 CCCCCCOC(=O)Cl PI-41139 [1,0,0,0,0,0|2,0,0]=3 12 B9R0.2 NCCCCCCC(=O)O PI-11340 [1,0,0,0,0,0|1,0,0]=2 13 B9R0.2 O=C(O)CCCCCCO PI-37225 [1,0,0,0,0,0|1,0,0]=2 14 B9R0.45 C#CCCCCCCCO PI-40905 [1,0,0,0,0,0|0,0,3]=4 15 B9R0.45 C(CCCCCl)CCCCl PI-10977 [1,0,0,0,0,0|2,0,1]=4 16 B9R0.45 C(CCCCI)CCCI PI-46866 [1,0,0,0,0,0|2,0,1]=4 17 B9R0.45 C(CCCCN)CCCN PI-44644 [1,0,0,0,0,0|2,0,1]=4 18 B9R0.45 C(CCCCO)CCCO PI-16494 [1,0,0,0,0,0|1,0,1]=3 19 B9R0.45 C=CCCCCCCCBr PI-37398 [1,0,0,0,0,0|2,0,0]=3 20 B9R0.45 CCCCCCC=CCO PI-46869 [1,0,0,0,0,0|0,0,3]=4 21 B9R0.45 CCCCCCCCC#C PI-12874 [1,0,0,0,0,0|1,0,1]=3 22 B9R0.45 CCCCCCCN=C=S PI-15990 [1,0,0,0,0,0|1,1,1]=4 23 B9R0.45 CCCCNCCCCO PI-47099 [1,0,0,0,0,0|1,0,1]=3 24 B9R0.45 OCCCCCCCCBr PI-41510 [1,0,0,0,0,0|1,0,1]=3 25 B11R0.2 CCCCCCC(CC(=O)O)O PI-29567 [0,1,0,0,0,0|0,0,0]=1 26 B11R0.30 C(CCCC(=O)Cl)CCC(=O)Cl PI-46867 [0,1,0,0,0,0|2,0,1]=4 27 B11R0.30 CC(C)CCCCCCC(=O)O PI-29732 [0,1,0,0,0,0|0,0,0]=1 28 B11R0.30 O=C(O)CCCCCCC(O)=O PI-37274 [0,1,0,0,0,0|1,0,1]=3 29 B11R0.42 C(CCNC=O)CC(C(=O)O)N PI-19079 [0,1,0,0,0,0|2,0,1]=4 30 B11R0.42 CCCCCCCC(C(=O)O)N PI-29685 [0,1,0,0,0,0|0,0,0]=1 31 B11R0.42 CCCCCCCC(C(=O)O)O PI-29857 [0,1,0,0,0,0|0,0,0]=1 32 B11R0.46 CCCCCC(C)CCC(=O)O PI-29603 [0,1,0,0,0,0|0,0,0]=1 33 B11R0.46 CCCCCN(C)CCC(=O)O PI-21908 [0,1,0,0,0,0|1,0,0]=2 34 B11R0.148 B(C=CCCCCCCC)(O)O PI-25692 [0,1,0,0,0,0|1,0,2]=4 35 B11R0.148 BrCCCCCCCCC(=O)O PI-29582 [0,1,0,0,0,0|0,0,0]=1 36 B11R0.148 CCCCCCCC=CC(=O)O PI-40909 [0,1,0,0,0,0|0,0,1]=2 37 B11R0.148 CCCCCCCCNC(=S)N PI-14651 [0,1,0,0,0,0|1,1,0]=3 38 B11R0.148 CCCCCCC\C=C\C(O)=O PI-37211 [0,1,0,0,0,0|0,0,1]=2 39 B11R0.148 CCCCCC\C=C\CC(O)=O PI-37094 [0,1,0,0,0,0|0,0,1]=2 40 B11R0.148 O=C(O)CCOCCOCC#C PI-42760 [0,1,0,0,0,0|1,0,2]=4 41 B11R0.159 CCCCCCCCP(=O)(O)O PI-40610 [0,1,0,0,0,0|1,0,0]=2 42 B11R0.159 CCCCCCCCS(=O)(=O)[O-] PI-12117 [0,1,0,0,0,0|1,0,1]=3 43 B11R0.159 CCCCCCCC[Si](C)(C)Cl PI-45168 [0,1,0,0,0,0|2,1,0]=4 44 B11R0.176 CCOC(=O)CCCCC(=O)O PI-25749 [0,1,0,0,0,0|1,0,1]=3 45 B11R1.91 C1CCC(CC1)CCC(=O)O PI-44417 [0,0,0,1,0,0|0,0,0]=1 46 B11R1.193 C=CCN1CCC[C@H]1C(=O)O PI-36318 [0,0,0,1,0,0|1,0,2]=4 47 B11R1.742 C1CCC=C(CC1)CC(=O)[O-] PI-40737 [0,0,0,1,0,0|0,0,3]=4 48 B8R0.4 CCCCCC=CCO PI-26231 [2,0,0,0,0,0|0,0,2]=4 49 B8R0.4 CCCCCCCCBr PI-44631 [2,0,0,0,0,0|1,0,0]=3 50 B8R0.4 CCCCCCCCCl PI-44615 [2,0,0,0,0,0|1,0,0]=3 51 B8R0.4 CCCCC\C=C\C=O PI-38486 [2,0,0,0,0,0|0,0,2]=4 52 B8R0.4 CCCCSCCCC PI-48485 [2,0,0,0,0,0|1,0,1]=4 53 B8R0.4 OCCCCCCC#C PI-40903 [2,0,0,0,0,0|0,0,2]=4 54 B8R0.7 B(CCCCCC)(O)O PI-25221 [2,0,0,0,0,0|1,0,1]=4 55 B8R0.7 BrCCCCCC(=O)Cl PI-21506 [2,0,0,0,0,0|2,0,0]=4 56 B8R0.7 BrCCCCCC(=O)O PI-26630 [2,0,0,0,0,0|1,0,0]=3 57 B8R0.7 C(CCC(=O)N)CCBr PI-21503 [2,0,0,0,0,0|2,0,0]=4 58 B8R0.7 CCCCCCC(=O)[O-] PI-46862 [2,0,0,0,0,0|0,0,1]=3 59 B8R0.7 CCCCCCC(C)O PI-10350 [2,0,0,0,0,0|1,0,1]=4 60 B8R0.7 CCCCCOC(=O)Cl PI-24536 [2,0,0,0,0,0|2,0,0]=4 61 B8R0.7 O=C(O)CCCCCN PI-41159 [2,0,0,0,0,0|1,0,0]=3 62 B8R0.7 O=C(O)COCCCC PI-32593 [2,0,0,0,0,0|1,0,0]=3 63 B10R0.3 CCOC(=O)CCCC(=O)O PI-19044 [1,1,0,0,0,0|1,0,1]=4 64 B10R0.6 C(CCN)CC(CC(=O)O)N PI-43593 [1,1,0,0,0,0|1,0,0]=3 65 B10R0.22 CCCCCCCP(=O)(Cl)Cl PI-29909 [1,1,0,0,0,0|2,0,0]=4 66 B10R0.22 CCCCCCCS(=O)(=O)[O-] PI-15986 [1,1,0,0,0,0|1,0,1]=4 67 B10R0.55 COC(=O)CCCCC(=O)O PI-25751 [1,1,0,0,0,0|1,0,1]=4 68 B10R0.74 CCCCCCCC(=O)NN PI-50239 [1,1,0,0,0,0|1,0,0]=3 69 B10R0.74 CCCCCCOC(=O)CN PI-15958 [1,1,0,0,0,0|2,0,0]=4 70 B10R0.75 C(CO)CSCC(C(=O)O)N PI-18144 [1,1,0,0,0,0|2,0,0]=4 71 B10R0.75 CCCCCCC(N)C(=O)O PI-30827 [1,1,0,0,0,0|0,0,0]=2 72 B10R0.78 CCCCC(C)CCC(=O)O PI-24483 [1,1,0,0,0,0|0,0,0]=2 73 B10R0.97 OC(=O)CCCCCC(=O)O PI-10808 [1,1,0,0,0,0|1,0,1]=4 74 B10R0.71 BrCCCCCCCCC=C PI-39247 [1,1,0,0,0,0|1,0,0]=3 75 B10R0.71 C(CCCCBr)CCCCBr PI-39736 [1,1,0,0,0,0|1,0,1]=4 76 B10R0.71 C(CCCCO)CCCCO PI-44645 [1,1,0,0,0,0|0,0,1]=3 77 B10R0.71 CCCCCC=CCCC=O PI-20940 [1,1,0,0,0,0|0,0,1]=3 78 B10R0.71 CCCCCCCCCCF PI-23565 [1,1,0,0,0,0|1,0,1]=4 79 B10R0.71 CCCCCCCCCCN PI-40487 [1,1,0,0,0,0|1,0,1]=4 80 B10R0.71 CCCCCCCCN=C=O PI-11406 [1,1,0,0,0,0|0,0,1]=3 81 B10R0.71 CCCCCCCCN=C=S PI-14645 [1,1,0,0,0,0|0,1,1]=4 82 B10R0.71 CCCCCCNCCC#N PI-20710 [1,1,0,0,0,0|1,0,1]=4 83 B10R0.71 CCCCCCNCCCN PI-39642 [1,1,0,0,0,0|1,0,1]=4 84 B10R0.71 OCCCCCCCCCBr PI-38637 [1,1,0,0,0,0|0,0,1]=3 85 B12R0.4 CCCCCCCC(C)OC(=O)C PI-26149 [0,2,0,0,0,0|1,0,0]=3 86 B12R0.42 C(CCC(C(=O)O)N)CCC(=O)O PI-17859 [0,2,0,0,0,0|1,0,1]=4 87 B12R0.184 CC(=O)OCCCCCC(=O)OC PI-26044 [0,2,0,0,0,0|1,0,1]=4 88 B12R0.184 CC(C)CCCCCCC(=O)OC PI-29648 [0,2,0,0,0,0|0,0,0]=2 89 B12R0.184 O=C(OC)CCCCCCC(O)=O PI-37232 [0,2,0,0,0,0|0,0,1]=3 90 B12R0.142 O=C(OC)CCN(C)CCCCC PI-42474 [0,2,0,0,0,0|1,0,0]=3 91 B12R0.183 COC(=O)CCCCCC(=O)OC PI-47199 [0,2,0,0,0,0|1,0,1]=4 92 B12R0.248 CCCCCCCCNC(=S)NN PI-14650 [0,2,0,0,0,0|1,1,0]=4 93 B12R0.248 CCCCCCCCOC(=O)CN PI-15959 [0,2,0,0,0,0|1,0,0]=3 94 B12R0.248 OCCCCCCCCC(=O)OC PI-29501 [0,2,0,0,0,0|0,0,0]=2 95 B12R0.251 CCCCCCCCC(C(=O)O)Br PI-26359 [0,2,0,0,0,0|0,0,0]=2 96 B12R0.58 CCCCCCCC(C)(C)C(=O)O PI-23893 [0,2,0,0,0,0|0,0,0]=2 97 B12R0.119 O=S(OCCCCCCCC)([O-])=O PI-39390 [0,2,0,0,0,0|1,0,1]=4 98 B12R0.234 C#CCCCCCCCCC(=O)O PI-47215 [0,2,0,0,0,0|0,0,0]=2 99 B12R0.234 C(CCCC=CC(=O)O)CCCO PI-39050 [0,2,0,0,0,0|0,0,1]=3 100 B12R0.234 CCCCCCCCCCC(=O)Cl PI-43373 [0,2,0,0,0,0|1,0,0]=3 101 B10R1.18 C1CCC(=CC1)CC(=O)O PI-46491 [1,0,0,1,0,0|0,0,2]=4 102 B10R1.18 C1CCC(CC1)NC(=O)N PI-12282 [1,0,0,1,0,0|2,0,0]=4 103 B10R1.18 C1CCC(CC1)OC(=O)Cl PI-42237 [1,0,0,1,0,0|2,0,0]=4 104 B10R1.18 C1CNCCC1CC(=O)O PI-21883 [1,0,0,1,0,0|1,0,0]=3 105 B10R1.18 C1COCCN1CC(=O)O PI-48289 [1,0,0,1,0,0|2,0,0]=4 106 B10R1.18 CC(=O)CC1CCCCC1 PI-17830 [1,0,0,1,0,0|1,0,0]=3 107 B10R1.18 O=C(O)CC1NCCNC1 PI-37079 [1,0,0,1,0,0|2,0,0]=4 108 B10R1.18 OC(=O)CC1CCCCC1 PI-11618 [1,0,0,1,0,0|0,0,0]=2 109 B10R1.18 OC(=O)CN1CCOCC1 PI-38565 [1,0,0,1,0,0|2,0,0]=4 110 B10R1.61 CN1CCCCC1C(=O)O PI-25389 [1,0,0,1,0,0|1,0,0]=3 111 B10R1.61 CN1CCNCC1C(=O)O PI-35986 [1,0,0,1,0,0|2,0,0]=4 112 B10R1.66 ClC(=O)CCC1CCCC1 PI-25035 [1,0,0,1,0,0|1,0,0]=3 113 B10R1.66 OC(=O)CCC1CCCC1 PI-12731 [1,0,0,1,0,0|0,0,0]=2 114 B10R1.348 C1CCCC(CC1)C(=O)O PI-20907 [1,0,0,1,0,0|0,0,0]=2 115 B10R1.4 C=CCC1CCCCC1=O PI-29985 [1,0,0,1,0,0|0,0,2]=4 116 B10R1.4 CCCC1CCCCC1O PI-19976 [1,0,0,1,0,0|0,0,1]=3 117 B10R1.17 C=CCNC1CCCCC1 PI-29837 [1,0,0,1,0,0|2,0,0]=4 118 B10R1.17 OCCCC1CCNCC1 PI-34776 [1,0,0,1,0,0|1,0,1]=4 119 B10R1.20 C1CCC(C(C1)CO)CO PI-47035 [1,0,0,1,0,0|1,0,1]=4 120 B10R1.20 OC[C@@H]1CCCC[C@H]1CO PI-37515 [1,0,0,1,0,0|1,0,1]=4 121 B10R1.29 CCCCN1CCCC1=O PI-50565 [1,0,0,1,0,0|1,0,0]=3 122 B10R1.29 NCCCN1CCCC1=O PI-17919 [1,0,0,1,0,0|2,0,0]=4 123 B10R1.85 C1CCCN(CC1)CCO PI-42925 [1,0,0,1,0,0|1,0,1]=4 124 B10R1.161 C1CCCC(=NO)CCC1 PI-30055 [1,0,0,1,0,0|1,0,1]=4 125 B12R1.7 CCCCCCC1CCC(=O)O1 PI-19854 [0,1,0,1,0,0|0,0,0]=2 126 B12R1.107 C1CCC(CC1)C(CC(=O)O)N PI-30106 [0,1,0,1,0,0|0,0,0]=2 127 B12R1.107 O=C(O)C[C@H](N)C1CCCCC1 PI-42143 [0,1,0,1,0,0|0,0,0]=2 128 B12R1.261 C1CCC(C(C1)C(=O)O)C(=O)O PI-30641 [0,1,0,1,0,0|1,0,1]=4 129 B12R1.261 OC(=O)[C@@H]1CCCC[C@H]1C(=O)O PI-17987 [0,1,0,1,0,0|1,0,1]=4 130 B12R1.261 OC(=O)[C@H]1CCCC[C@@H]1C(=O)O PI-35939 [0,1,0,1,0,0|1,0,1]=4 131 B12R1.1 CCCCCC1CCC(=O)CC1 PI-12354 [0,1,0,1,0,0|1,0,0]=3 132 B12R1.27 COC(=O)CCN1CCOCC1 PI-24329 [0,1,0,1,0,0|2,0,0]=4 133 B12R1.43 C1CCC(CC1)CC(C(=O)O)N PI-20912 [0,1,0,1,0,0|0,0,0]=2 134 B12R1.43 C1CN(CCN1)C[C@@H](C(=O)O)N PI-48070 [0,1,0,1,0,0|2,0,0]=4 135 B12R1.43 N[C@@H](CC1CCCCC1)C(O)=O PI-42142 [0,1,0,1,0,0|0,0,0]=2 136 B12R1.43 O=C(O)[C@H](N)CC1CCCCC1 PI-42131 [0,1,0,1,0,0|0,0,0]=2 137 B12R1.43 O=C(O)[C@H](N)CC1CCCCC1 PI-42138 [0,1,0,1,0,0|0,0,0]=2 138 B12R1.54 C1CCN(C1)C(=O)CCC(=O)O PI-26852 [0,1,0,1,0,0|1,0,1]=4 139 B12R1.21 CN1CCN(CC1)CCC(=O)O PI-24491 [0,1,0,1,0,0|2,0,0]=4 140 B12R1.252 C1CCC(CC1)CCCC(=O)O PI-27597 [0,1,0,1,0,0|0,0,0]=2 141 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] PI-26812 [0,1,0,1,0,0|0,0,1]=3 142 B12R1.252 C1CNCCC1CCCC(=O)O PI-26940 [0,1,0,1,0,0|0,0,0]=2 143 B12R1.28 CCCCCC1CCCC(=O)O1 PI-25804 [0,1,0,1,0,0|0,0,0]=2 144 B12R1.75 CC(=O)C[C@@H]1[C@H](CCCN1)OC PI-48669 [0,1,0,1,0,0|2,0,0]=4 145 B12R1.255 C1CSSC1CCCCC(=O)N PI-38396 [0,1,0,1,0,0|2,0,0]=4 146 B12R1.255 C1CSSC1CCCCC(=O)O PI-14327 [0,1,0,1,0,0|1,0,0]=3 147 B12R1.255 OC(=O)CCCC[C@H]1SSCC1 PI-16001 [0,1,0,1,0,0|1,0,0]=3 148 B12R2.375 COC1C2CC(=O)OC2CO1 PI-44466 [0,0,0,2,0,0|2,0,0]=4 149 B12R2.375 COC1C2CC(=O)OC2CO1 PI-44467 [0,0,0,2,0,0|2,0,0]=4 150 B12R2.2918 C1CCC2(CC1)CC(=O)NC2 PI-16814 [0,0,0,2,0,0|2,0,0]=4 151 B12R2.2028 C1CCC2C(C1)C(=O)OC2=O PI-17988 [0,0,0,2,0,0|1,0,1]=4 152 B12R2.2028 C1CCC2C(C1)C(=O)OC2=O PI-47042 [0,0,0,2,0,0|1,0,1]=4 153 B12R2.2028 O=C1OC(C2CCCCC21)=O PI-33554 [0,0,0,2,0,0|1,0,1]=4 154 B12R2.252 C1CC2CC(NC2C1)C(=O)O PI-12186 [0,0,0,2,0,0|1,0,0]=3